Fix setting of default energy frequency.

chemle · Jan 23, 2024 · bdf8505 · bdf8505
1 parent 42b5f8a
commit bdf8505
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/emle/calculator.py b/emle/calculator.py
@@ -978,7 +978,7 @@ def __init__(
             )
 
         if energy_frequency is None:
-            energy_frequency = 1
+            energy_frequency = 0
 
         if not isinstance(energy_frequency, int):
             msg = "'energy_frequency' must be of type 'int'"